2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate

C18H24F3N3O — CID 170274497

IUPAC2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
SMILESC/C=C\N=C(OCCNC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O/c1-4-6-16(17(23-11-5-2)25-13-12-22-3)24-15-9-7-14(8-10-15)18(19,20)21/h5-11,22,24H,4,12-13H2,1-3H3/b11-5-,16-6-,23-17-
InChIKeyLMHQCWAWDUPMCW-HSCRRKNTSA-N
MW355.40 g/mol
LogP4.58
Rot. Bonds8

About 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate

2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate (PubChem CID 170274497) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate.

Molecular Properties

Compound Name2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
PubChem CID170274497
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
SMILESC/C=C\N=C(OCCNC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O/c1-4-6-16(17(23-11-5-2)25-13-12-22-3)24-15-9-7-14(8-10-15)18(19,20)21/h5-11,22,24H,4,12-13H2,1-3H3/b11-5-,16-6-,23-17-
InChIKeyLMHQCWAWDUPMCW-HSCRRKNTSA-N
XLogP4.58
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The IUPAC name of 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate (CID 170274497) is 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate.
What is the SMILES notation for 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The canonical SMILES for 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate is C/C=C\N=C(OCCNC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The InChIKey is LMHQCWAWDUPMCW-HSCRRKNTSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-4-6-16(17(23-11-5-2)25-13-12-22-3)24-15-9-7-14(8-10-15)18(19,20)21/h5-11,22,24H,4,12-13H2,1-3H3/b11-5-,16-6-,23-17-.
What are the key properties of 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate has a molecular weight of 355.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate is sourced from PubChem (CID 170274497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).